LMPK12140557
  LIPID_MAPS_STRUCTURE_DATABASE

 22 24  0  0  0  0  0  0  0  0999 V2000
    5.6887    6.7383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3775    6.3407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0661    6.7383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0661    7.5335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3775    7.9311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6887    7.5335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7549    6.3407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4435    6.7383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4435    7.5335    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.7549    7.9311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1321    7.9312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7549    5.5454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8387    7.5233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5452    7.9312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5452    8.7469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8387    9.1548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1321    8.7469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.9312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3775    5.5454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3221    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2339    9.1447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1785    8.5992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  4  1  0  0  0  0
  9 11  1  0  0  0  0
  7 12  2  0  0  0  0
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 11  1  0  0  0  0
  6 18  1  0  0  0  0
  2 19  1  0  0  0  0
 15 21  1  0  0  0  0
M  END
> <LM_ID>
LMPK12140557

> <COMMON_NAME>
Tsugafolin

> <SYSTEMATIC_NAME>


> <FORMULA>
C17H16O5

> <MASS>
300.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KFGFEKHSEPSVNO-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H16O5/c1-20-12-5-3-10(4-6-12)14-9-13(19)17-15(21-2)7-11(18)8-16(17)22-14/h3-8,14,18H,9H2,1-2H3

> <SMILES>
C1C(O)=CC2OC(C3C=CC(OC)=CC=3)CC(=O)C=2C=1OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
21721822

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$